iterations/neb0_image06_iter24.sci output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
#MD System 2.0
@Title neb0_image06
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
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@data
6 {} {0.358441182738 0.535688741224 0.423001410297} C1 1 1
14 {} {0.339535184978 0.502436884131 0.534106027509} Si1 2 1
14 {} {0.413157193953 0.579302362154 0.418209042483} Si2 3 1
8 {} {0.342862562679 0.562672670538 0.609347696182} O1 4 1
8 {} {0.286629285211 0.480288132462 0.526097635872} O2 5 1
6 {} {0.371196549903 0.426476615286 0.569430033334} C2 6 1
6 {} {0.462100030738 0.52247412648 0.411830102036} C3 7 1
8 {} {0.415171251688 0.622544952229 0.514274688579} O3 8 1
8 {} {0.413552291115 0.630009740828 0.330128772902} O4 9 1
14 {} {0.234335155761 0.486024456025 0.556647907775} Si3 10 1
7 {} {0.214659777093 0.407353106595 0.588140848615} N1 11 1
14 {} {0.178660905456 0.403053979815 0.680063547145} Si4 12 1
14 {} {0.230245786783 0.337340863911 0.524148298555} Si5 13 1
7 {} {0.231482134948 0.349576679687 0.410495140088} N2 14 1
7 {} {0.131120963577 0.451326825054 0.672917352461} N3 15 1
1 {} {0.358228382881 0.495195479989 0.372988145059} H1 16 1
1 {} {0.333340205672 0.572545187332 0.400917870385} H2 17 1
1 {} {0.366592520394 0.59486082771 0.596223141706} H3 18 1
1 {} {0.367861682488 0.385467300534 0.52096510514} H4 19 1
1 {} {0.358537847688 0.408417791306 0.633941441171} H5 20 1
1 {} {0.406909608458 0.437464448926 0.577700984109} H6 21 1
1 {} {0.494410686818 0.548753571284 0.411841658671} H7 22 1
1 {} {0.460507824801 0.491014477498 0.351637507657} H8 23 1
1 {} {0.461990050226 0.489196770331 0.470123540528} H9 24 1
1 {} {0.440673562982 0.651485820421 0.524167532417} H10 25 1
1 {} {0.442370666693 0.637520284114 0.302495324449} H11 26 1
1 {} {0.228569761583 0.531741062285 0.634623230933} H12 27 1
1 {} {0.20883601494 0.512657819854 0.478926331047} H13 28 1
1 {} {0.165804976699 0.331343664216 0.688220627685} H14 29 1
1 {} {0.201722492499 0.427459229146 0.761903880959} H15 30 1
1 {} {0.276180452419 0.315685140171 0.549044288096} H16 31 1
1 {} {0.19711431534 0.283955106256 0.544513626356} H17 32 1
1 {} {0.257884263533 0.373712795045 0.382667856634} H18 33 1
1 {} {0.20299224106 0.360428755604 0.376600677646} H19 34 1
1 {} {0.130955498557 0.498945946702 0.696545386368} H20 35 1
1 {} {0.108477796932 0.445389696648 0.623077806014} H21 36 1
6 {} {0.583487545073 0.347123387732 0.308819961937} C4 37 1
14 {} {0.579343168025 0.37983159014 0.42634489696} Si6 38 1
14 {} {0.56741390202 0.258118888527 0.290852779778} Si7 39 1
8 {} {0.608373524942 0.33117926824 0.494103463212} O5 40 1
8 {} {0.601139933189 0.455555691351 0.430880129461} O6 41 1
6 {} {0.520356286203 0.386604457897 0.463565385046} C5 42 1
6 {} {0.506515346834 0.247495977393 0.267293153101} C6 43 1
8 {} {0.58251034403 0.219454985477 0.385220253343} O7 44 1
8 {} {0.597161774727 0.221298930429 0.210971128818} O8 45 1
14 {} {0.644926273999 0.500529821391 0.459599065513} Si8 46 1
7 {} {0.629356306728 0.581588335069 0.486606827969} N4 47 1
14 {} {0.635977506541 0.60939483829 0.596955276719} Si9 48 1
14 {} {0.605477894034 0.635333218622 0.407660849702} Si10 49 1
7 {} {0.616687508287 0.615801179613 0.298145574385} N5 50 1
7 {} {0.688752778502 0.6293013228 0.633650049207} N6 51 1
1 {} {0.563975891763 0.37901042292 0.263095437894} H22 52 1
1 {} {0.618766556372 0.352319462393 0.289046220848} H23 53 1
1 {} {0.605861263957 0.284103726511 0.476568519884} H24 54 1
1 {} {0.502161148454 0.418614788014 0.416639529477} H25 55 1
1 {} {0.518458038098 0.409996746758 0.529829712359} H26 56 1
1 {} {0.503146747488 0.338047902148 0.466027857443} H27 57 1
1 {} {0.497245123362 0.19436359193 0.262737419269} H28 58 1
1 {} {0.497194377888 0.271616385847 0.203944211902} H29 59 1
1 {} {0.486135093596 0.270312272805 0.320163051201} H30 60 1
1 {} {0.585457323613 0.171127960968 0.382909551308} H31 61 1
1 {} {0.583908102335 0.217097999273 0.152265220797} H32 62 1
1 {} {0.666972227388 0.471833484351 0.540242933343} H33 63 1
1 {} {0.676612827485 0.500207063681 0.382928539062} H34 64 1
1 {} {0.608405787575 0.671377250061 0.603366154162} H35 65 1
1 {} {0.6195652369 0.556321132189 0.658402917021} H36 66 1
1 {} {0.555699354475 0.634617896702 0.415121359715} H37 67 1
1 {} {0.622478651592 0.704199357175 0.425439493857} H38 68 1
1 {} {0.600175465598 0.577625247392 0.267753021243} H39 69 1
1 {} {0.648195361371 0.619640757021 0.273706785333} H40 70 1
1 {} {0.710096010786 0.591984140147 0.651097239649} H41 71 1
1 {} {0.705730187933 0.668285500641 0.606167864739} H42 72 1
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